| MolName | (2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide |
| MolecularFormula | C23H16N2O2Cl2S |
| Smiles | O=C(c(cc1)cc(NC2=O)c1S/C2=C/c1cccc(Cl)c1)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H16Cl2N2O2S/c24-17-7-4-14(5-8-17)13-26-22(28)16-6-9-20-19(12-16)27-23(29)21(30-20)11-15-2-1-3-18(25)10-15/h1-12H,13H2,(H,26,28)(H,27,29) |
| InChIK | RUCWPQKBQYMBLU-UHFFFAOYSA-N |
| TotalMolweight | 455.364 |
| Molweight | 455.364 |
| MonoisotopicMass | 454.030952 |
| CLogP | 4.3259 |
| CLogS | -7.214 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 324.5 |
| Relative PSA | 0.2049 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 3.1941 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide | 2 - (2E)-N-[(4-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carboxamide